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4-Formyl-7-methoxy-2,2,6-trimethyl-1-indanone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Formyl-7-methoxy-2,2,6-trimethyl-1-indanone
SpectraBase Compound ID B4Z4h2kEyLr
InChI InChI=1S/C14H16O3/c1-8-5-9(7-15)10-6-14(2,3)13(16)11(10)12(8)17-4/h5,7H,6H2,1-4H3
InChIKey FLJKQZXTKBNKBF-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IUBdl720QiX
Name 4-Formyl-7-methoxy-2,2,6-trimethyl-1-indanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.109944372 u
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-8-5-9(7-15)10-6-14(2,3)13(16)11(10)12(8)17-4/h5,7H,6H2,1-4H3
InChIKey FLJKQZXTKBNKBF-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES C1(C(CC=2C(=CC(=C(C12)OC)C)C=O)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979757